TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 549.593 | Formula: C25H31N3O9S
H donors: 4 H acceptors: 7 LogP: 1.08 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(OC)c(cc1S(=O)(=O)NCc1ccccc1N1CCC(CC1)C(=O)O)NC(=O)CCC(=O)O
InChi: 1S/C25H31N3O9S/c1-36-20-14-21(37-2)22(13-18(20)27-23(29)7-8-24(30)31)38(34,35)26-15-17-5-3-4-6-19(17)28-11-9-16(10-12-28)25(32)33/h3-6,13-14,16,26H,7-12,15H2,1-2H3,(H,27,29)(H,30,31)(H,32,33)
InChiKey: HCHWOLFSXYTCQR-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	fused N-acetyl glucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyl transferase	Starlite/ChEMBL	References
Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)	Bifunctional protein GlmU	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium leprae	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	Get druggable targets OG5_131193	All targets in OG5_131193
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	Get druggable targets OG5_131193	All targets in OG5_131193
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	Get druggable targets OG5_131193	All targets in OG5_131193
Mycobacterium ulcerans	bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase	Get druggable targets OG5_131193	All targets in OG5_131193

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	somatostatin receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Schistosoma mansoni	hypothetical protein	0.0038	0.0088	0.0094
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0034	0.0052	0.0859
Echinococcus granulosus	tm gpcr rhodopsin	0.0061	0.0277	0.0294
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0061	0.0277	0.0294
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0061	0.0277	0.0294
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0097	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.0097	0.0878
Brugia malayi	larval opioid receptor	0.0061	0.0277	0.4541
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0061	0.0277	0.0294
Echinococcus granulosus	neuropeptides capa receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0032	0.1056
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0034	0.0052	0.1743
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Schistosoma mansoni	amine GPCR	0.0061	0.0277	0.0294
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0061	0.0277	0.0294
Echinococcus granulosus	7tm_1 domain containing protein	0.0061	0.0277	0.0294
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0061	0.0277	0.0294
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.0277	0.0294
Echinococcus granulosus	neuropeptide receptor	0.1171	0.9411	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0028	0.003
Brugia malayi	Bromodomain containing protein	0.0031	0.0028	0.0466
Brugia malayi	hypothetical protein	0.0061	0.0277	0.4541
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0277	0.0294
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0061	0.0277	0.0294
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	0.1243	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0061	0.0277	0.0294
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0061	0.0277	0.0294
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0061	0.0277	0.0294
Brugia malayi	neuropeptide F receptor	0.0061	0.0277	0.4541
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Schistosoma mansoni	hypothetical protein	0.0061	0.0277	0.0294
Onchocerca volvulus		0.0061	0.0277	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0061	0.0277	0.0294
Brugia malayi	GnHR receptor homolog	0.0061	0.0277	0.4541
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0061	0.0277	1
Schistosoma mansoni	amine GPCR	0.0061	0.0277	0.0294
Brugia malayi	hypothetical protein	0.0061	0.0277	0.4541
Schistosoma mansoni	jumonji domain containing protein	0.0081	0.0438	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Loa Loa (eye worm)	neuropeptide F receptor	0.0061	0.0277	0.9216
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0031	0.0028	0.003
Echinococcus multilocularis	peregrin	0.0031	0.0028	0.003
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0061	0.0277	0.0294
Schistosoma mansoni	neuropeptide F-like receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0061	0.0277	0.0294
Onchocerca volvulus		0.0061	0.0277	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.0277	0.0294
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0211	0.702
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0061	0.0277	0.0294
Schistosoma mansoni	biogenic amine receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0061	0.0277	0.0294
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0061	0.0277	0.0294
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0097	0.0103
Onchocerca volvulus		0.0061	0.0277	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0277	0.0294
Onchocerca volvulus		0.0061	0.0277	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0061	0.0277	0.9216
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0277	0.0294
Echinococcus multilocularis	sex peptide receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Schistosoma mansoni	cell adhesion molecule	0.0031	0.0032	0.0034
Onchocerca volvulus		0.0061	0.0277	1
Onchocerca volvulus		0.0061	0.0277	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0277	0.0294
Echinococcus granulosus	neuropeptide s receptor	0.0061	0.0277	0.0294
Brugia malayi	jmjC domain containing protein	0.0038	0.0082	0.1347
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus multilocularis	G protein coupled receptor 139	0.1171	0.9411	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0061	0.0277	0.9216
Echinococcus granulosus	serotonin receptor	0.0061	0.0277	0.0294
Schistosoma mansoni	growth hormone secretagogue receptor	0.0061	0.0277	0.0294
Brugia malayi	follicle stimulating hormone receptor	0.0061	0.0277	0.4541
Echinococcus multilocularis	dro:myosuppressin receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Onchocerca volvulus		0.0061	0.0277	1
Echinococcus multilocularis	roundabout 2	0.0031	0.0032	0.0034
Brugia malayi	hypothetical protein	0.0038	0.0088	0.1446
Echinococcus granulosus	neuropeptide FF receptor 2	0.0061	0.0277	0.0294
Brugia malayi	Serotonin receptor	0.0061	0.0277	0.4541
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Brugia malayi	jmjC domain containing protein	0.0102	0.061	1
Brugia malayi	sulfakinin receptor protein	0.0061	0.0277	0.4541
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0061	0.0277	0.4541
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0061	0.0277	0.4541
Brugia malayi	neuropeptide F receptor	0.0061	0.0277	0.4541
Schistosoma mansoni	neuropeptide f receptor 76f	0.0061	0.0277	0.0294
Echinococcus granulosus	neuropeptide receptor	0.0061	0.0277	0.0294
Echinococcus multilocularis	neuropeptide receptor A26	0.0061	0.0277	0.0294
Brugia malayi	hypothetical protein	0.0061	0.0277	0.4541
Brugia malayi	G-protein coupled receptor	0.0061	0.0277	0.4541
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Brugia malayi	PHD-finger family protein	0.0031	0.0028	0.0466
Onchocerca volvulus		0.0061	0.0277	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Mycobacterium ulcerans	hypothetical protein	0.0125	0.0805	0.0715
Echinococcus multilocularis	allatostatin A receptor	0.0061	0.0277	0.0294
Schistosoma mansoni	opsin-like receptor	0.0061	0.0277	0.0294
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0061	0.0277	0.0294
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0097	0.5
Brugia malayi	Serotonin receptor	0.0061	0.0277	0.4541
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Schistosoma mansoni	opsin-like receptor	0.0061	0.0277	0.0294
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus multilocularis	g protein coupled receptor	0.0061	0.0277	0.0294
Schistosoma mansoni	biogenic amine receptor	0.0061	0.0277	0.0294
Brugia malayi	hypothetical protein	0.0061	0.0277	0.4541
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0102	0.061	0.0648
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0102	0.061	0.0648
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.0082	0.2734
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0061	0.0277	0.0294
Echinococcus multilocularis	orexin receptor type 2	0.0061	0.0277	0.0294
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0061	0.0277	0.0294
Schistosoma mansoni	amine GPCR	0.0061	0.0277	0.0294
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0031	0.0032	0.0034
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0097	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.0097	0.0103
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0031	0.0028	0.003
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0088	0.0094
Echinococcus granulosus	dro:myosuppressin receptor	0.0061	0.0277	0.0294
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0061	0.0277	0.0294
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0061	0.0277	0.9216
Echinococcus granulosus	G protein coupled receptor 139	0.0061	0.0277	0.0294
Brugia malayi	G-protein coupled receptor	0.0061	0.0277	0.4541
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0061	0.0277	0.0294
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0061	0.0277	1
Brugia malayi	RE15519p	0.0061	0.0277	0.4541
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0277	0.0294
Echinococcus granulosus	hypothetical protein	0.0061	0.0277	0.0294
Schistosoma mansoni	biogenic amine receptor	0.0061	0.0277	0.0294
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0061	0.0277	0.0294
Echinococcus multilocularis	fmrfamide receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0061	0.0277	0.9216
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	jmjC domain-containing protein	0.0064	0.03	1
Echinococcus multilocularis	g-protein coupled receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus granulosus	7TM GPCR rhodopsin	0.0061	0.0277	0.0294
Echinococcus granulosus	allatostatin A receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Onchocerca volvulus		0.0061	0.0277	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0061	0.0277	0.4541
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0061	0.0277	0.0294
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0277	0.0294
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0061	0.0277	0.4541
Toxoplasma gondii	eukaryotic initiation factor-2B, gamma subunit, putative	0.0125	0.0805	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0061	0.0277	0.0294
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0985	0.7879	0.8373
Brugia malayi	hypothetical protein	0.0061	0.0277	0.4541
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0061	0.0277	0.0294
Echinococcus multilocularis	neuropeptides capa receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Schistosoma mansoni	adenoreceptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0277	0.0294
Brugia malayi	hypothetical protein	0.0061	0.0277	0.4541
Onchocerca volvulus		0.0061	0.0277	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0097	0.5
Echinococcus multilocularis	serotonin receptor	0.0061	0.0277	0.0294
Onchocerca volvulus		0.0061	0.0277	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0061	0.0277	0.9216
Mycobacterium ulcerans	hypothetical protein	0.0125	0.0805	0.0715
Brugia malayi	hypothetical protein	0.0061	0.0277	0.4541
Echinococcus granulosus	biogenic amine 5HT receptor	0.0061	0.0277	0.0294
Mycobacterium ulcerans	bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase	0.1243	1	1
Echinococcus multilocularis	neuropeptide receptor	0.0061	0.0277	0.0294
Echinococcus granulosus	roundabout 2	0.0031	0.0032	0.0034
Brugia malayi	Dopamine receptor protein 2	0.0061	0.0277	0.4541
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0277	0.0294
Echinococcus granulosus	tm gpcr rhodopsin	0.0061	0.0277	0.0294
Echinococcus granulosus	neuropeptide Y receptor	0.0061	0.0277	0.0294
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0277	0.0294
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0097	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Schistosoma mansoni	hypothetical protein	0.0061	0.0277	0.0294
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0061	0.0277	0.9216
Schistosoma mansoni	amine GPCR	0.0061	0.0277	0.0294
Onchocerca volvulus		0.0061	0.0277	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	PHD-finger family protein	0.0031	0.0028	0.0945
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0032	0.1056
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0061	0.0277	0.0294
Onchocerca volvulus		0.0061	0.0277	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0061	0.0277	0.0294
Echinococcus multilocularis	g protein coupled receptor	0.0061	0.0277	0.0294
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0097	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0061	0.0277	0.0294
Echinococcus granulosus	peregrin	0.0031	0.0028	0.003
Echinococcus granulosus	fmrfamide receptor	0.0061	0.0277	0.0294
Onchocerca volvulus		0.0061	0.0277	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0277	0.0294
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0088	0.0094
Echinococcus multilocularis	neuropeptide s receptor	0.0061	0.0277	0.0294
Schistosoma mansoni	neuropeptide receptor	0.0061	0.0277	0.0294
Onchocerca volvulus		0.0061	0.0277	1
Echinococcus granulosus	neuropeptides capa receptor	0.0061	0.0277	0.0294
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0061	0.0277	0.0294
Brugia malayi	Inositol-1	0.0039	0.0097	0.1584
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0125	0.0805	0.0747
Brugia malayi	Melatonin receptor type 1A	0.0061	0.0277	0.4541
Schistosoma mansoni	hypothetical protein	0.0061	0.0277	0.0294
Echinococcus multilocularis	fmrfamide receptor	0.0061	0.0277	0.0294
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0028	0.0945
Brugia malayi	hypothetical protein	0.0061	0.0277	0.4541
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus granulosus	neuropeptide Y receptor	0.0061	0.0277	0.0294
Brugia malayi	G protein-coupled receptor	0.0061	0.0277	0.4541
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus multilocularis	neuropeptide Y receptor	0.0061	0.0277	0.0294
Echinococcus granulosus	g protein coupled receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.0277	0.0294
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0061	0.0277	0.9216
Giardia lamblia	PHD finger protein 15	0.0031	0.0028	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus multilocularis	g protein coupled receptor	0.0061	0.0277	0.0294
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.0277	0.0294
Echinococcus granulosus	orexin receptor type 2	0.0061	0.0277	0.0294
Schistosoma mansoni	neuropeptide receptor	0.0061	0.0277	0.0294
Schistosoma mansoni	amine GPCR	0.0061	0.0277	0.0294
Onchocerca volvulus		0.0061	0.0277	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0277	0.0294
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	0.1243	1	1
Brugia malayi	AKH receptor	0.0061	0.0277	0.4541
Loa Loa (eye worm)	melatonin receptor type 1A	0.0061	0.0277	0.9216
Echinococcus multilocularis	serotonin receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0032	0.1056
Schistosoma mansoni	myosin xvIII	0.0061	0.0277	0.0294
Brugia malayi	hypothetical protein	0.0061	0.0277	0.4541
Echinococcus granulosus	g protein coupled receptor	0.0061	0.0277	0.0294
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0277	0.0294
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.0097	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0061	0.0277	0.0294
Schistosoma mansoni	neuropeptide receptor	0.0061	0.0277	0.0294
Brugia malayi	Dopamine receptor protein 1	0.0061	0.0277	0.4541
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Brugia malayi	ORL1-like opioid receptor	0.0061	0.0277	0.4541
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0061	0.0277	0.4541
Brugia malayi	Dopamine receptor	0.0061	0.0277	0.4541
Echinococcus granulosus	g-protein coupled receptor	0.0061	0.0277	0.0294
Brugia malayi	putative neuropeptide receptor NPR1	0.0061	0.0277	0.4541
Schistosoma mansoni	neuropeptide F-like receptor	0.0061	0.0277	0.0294
Brugia malayi	G protein-coupled receptor F59B2.13	0.0061	0.0277	0.4541
Echinococcus granulosus	somatostatin receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0277	0.0294
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0061	0.0277	0.0294
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0061	0.0277	0.0294
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0061	0.0277	0.0294
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.0028	0.5
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.0097	0.5
Treponema pallidum	licC protein (licC)	0.0125	0.0805	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0277	0.0294
Echinococcus granulosus	sex peptide receptor	0.0061	0.0277	0.0294
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	TYRA-2 protein	0.0061	0.0277	0.9216
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0082	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0082	0.0087
Onchocerca volvulus		0.0061	0.0277	1
Echinococcus multilocularis	neuropeptide receptor	0.1171	0.9411	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0061	0.0277	0.0294
Echinococcus granulosus	PHD finger protein rhinoceros	0.0031	0.0028	0.003
Echinococcus granulosus	g protein coupled receptor	0.0061	0.0277	0.0294
Loa Loa (eye worm)	G-protein coupled receptor	0.0061	0.0277	0.9216
Echinococcus multilocularis	lysine specific demethylase 5A	0.0038	0.0082	0.0087
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0088	0.0094
Echinococcus granulosus	tm gpcr rhodopsin	0.0061	0.0277	0.0294
Schistosoma mansoni	hypothetical protein	0.0061	0.0277	0.0294
Plasmodium falciparum	phd finger protein, putative	0.0031	0.0028	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Schistosoma mansoni	opsin-like receptor	0.0061	0.0277	0.0294
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0061	0.0277	0.4541
Mycobacterium ulcerans	molybdopterin-guanine dinucleotide biosynthesis protein A	0.0125	0.0805	0.0715
Brugia malayi	putative neuropeptide receptor	0.0061	0.0277	0.4541
Schistosoma mansoni	neuropeptide receptor	0.1171	0.9411	1
Brugia malayi	hypothetical protein	0.0061	0.0277	0.4541
Echinococcus granulosus	jumonji domain containing protein	0.0043	0.0128	0.0137
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.0277	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0277	0.9216
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0097	0.0103
Schistosoma mansoni	histamine h1 receptor	0.0061	0.0277	0.0294
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0125	0.0805	0.0747
Echinococcus granulosus	neuropeptide receptor A26	0.0061	0.0277	0.0294
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.0097	0.0103
Echinococcus multilocularis	jumonji domain containing protein	0.0043	0.0128	0.0137
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.0082	0.0087
Loa Loa (eye worm)	inositol-1	0.0039	0.0097	0.3215
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.0277	0.0294
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0061	0.0277	0.0294

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.301	Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate	ChEMBL.	25544688
IC50 (binding)	= 0.5 uM	Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate	ChEMBL.	25544688
IC50 (binding)	= 2 uM	Inhibition of Streptococcus pneumoniae acetyltransferase activity of GlmU using acetyl-CoA and glucosamine-1-phosphate after 30 mins by Ellman's method	ChEMBL.	22297115

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1951186

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1612755